CID 50998305
Methyl (2e)-4-(4-iodophenyl)-4-oxobut-2-enoate
Structural Information
- Molecular Formula
- C11H9IO3
- SMILES
- COC(=O)/C=C/C(=O)C1=CC=C(C=C1)I
- InChI
- InChI=1S/C11H9IO3/c1-15-11(14)7-6-10(13)8-2-4-9(12)5-3-8/h2-7H,1H3/b7-6+
- InChIKey
- OILOMAAZLYQQID-VOTSOKGWSA-N
- Compound name
- methyl (E)-4-(4-iodophenyl)-4-oxobut-2-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 316.96691 | 154.1 |
[M+Na]+ | 338.94885 | 154.6 |
[M-H]- | 314.95235 | 150.7 |
[M+NH4]+ | 333.99345 | 167.9 |
[M+K]+ | 354.92279 | 158.5 |
[M+H-H2O]+ | 298.95689 | 144.4 |
[M+HCOO]- | 360.95783 | 171.8 |
[M+CH3COO]- | 374.97348 | 193.4 |
[M+Na-2H]- | 336.93430 | 145.5 |
[M]+ | 315.95908 | 153.3 |
[M]- | 315.96018 | 153.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.